C[triple‐bond]C—H systems as hydrogen‐bond donors and acceptors: trans‐1,2‐diethynylcyclohexane‐1,2‐diol and trans‐1,4‐diprop‐2‐ynylcyclohexane‐1,4‐diol monohydrate |
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Authors: | Uwe Hamann,Jan Kä mpen,Peter Bubenitschek,Henning Hopf,Peter G. Jones |
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Abstract: | The title 1,2‐diol derivative, C10H12O2, crystallizes with two independent but closely similar molecules in the asymmetric unit. Only two of the four OH groups are involved in classical hydrogen bonding; the molecules thereby associate to form chains parallel to the short c axis. The other two OH groups are involved in O—H⋯(C[triple‐bond]C) systems. Additionally, three of the four C[triple‐bond]C—H groups act as donors in C—H⋯O interactions. The 1,4‐diol derivative crystallizes with two independent half‐molecules of the diol (each associated with an inversion centre) and one water molecule in the asymmetric unit, C12H16O2·H2O. Both OH groups and one water H atom act as classical hydrogen‐bond donors, leading to layers parallel to the ac plane. The second water H atom is involved in a three‐centre contact to two C[triple‐bond]C bonds. One acetylenic H atom makes a very short `weak' hydrogen bond to a hydroxy O atom, and the other is part of a three‐centre system in which the acceptors are a hydroxy O atom and a C[triple‐bond]C bond. |
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